9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one

C20H64O5P32 — CID 22967287

IUPAC9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
SMILESC=CCCC(OP(P(P)P)P(P)P)C1(C)CC(OP(P(P)P)P(PP)P(P)P)C2=C(C)C(OP(P(P)P(P)P)P(P(P)P)P(P)P)CC(C(OPP)C1=O)C2(C)C
InChIInChI=1S/C20H64O5P32/c1-6-7-8-15(25-45(48(28)29)49(30)31)20(5)10-14(24-46(50(32)33)56(44-27)52(36)37)16-11(2)13(9-12(19(16,3)4)17(18(20)21)22-43-26)23-47(55(42)51(34)35)57(53(38)39)54(40)41/h6,12-15,17,43-44H,1,7-10,26-42H2,2-5H3
InChIKeySGCCCZSKUDMBLC-UHFFFAOYSA-N
MW1375.89 g/mol
LogP21.61
Rot. Bonds23

About 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one

9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one (PubChem CID 22967287) has the molecular formula C20H64O5P32 and a molecular weight of 1375.89 g/mol. Its IUPAC name is 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one.

Molecular Properties

Compound Name9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
PubChem CID22967287
Molecular FormulaC20H64O5P32
Molecular Weight1375.89 g/mol
Exact Mass1375.64
IUPAC Name9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
SMILESC=CCCC(OP(P(P)P)P(P)P)C1(C)CC(OP(P(P)P)P(PP)P(P)P)C2=C(C)C(OP(P(P)P(P)P)P(P(P)P)P(P)P)CC(C(OPP)C1=O)C2(C)C
InChIInChI=1S/C20H64O5P32/c1-6-7-8-15(25-45(48(28)29)49(30)31)20(5)10-14(24-46(50(32)33)56(44-27)52(36)37)16-11(2)13(9-12(19(16,3)4)17(18(20)21)22-43-26)23-47(55(42)51(34)35)57(53(38)39)54(40)41/h6,12-15,17,43-44H,1,7-10,26-42H2,2-5H3
InChIKeySGCCCZSKUDMBLC-UHFFFAOYSA-N
XLogP21.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.89
LogP ≤ 521.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?
The IUPAC name of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one (CID 22967287) is 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one.
What is the SMILES notation for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?
The canonical SMILES for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one is C=CCCC(OP(P(P)P)P(P)P)C1(C)CC(OP(P(P)P)P(PP)P(P)P)C2=C(C)C(OP(P(P)P(P)P)P(P(P)P)P(P)P)CC(C(OPP)C1=O)C2(C)C.
What is the InChIKey of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?
The InChIKey is SGCCCZSKUDMBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H64O5P32/c1-6-7-8-15(25-45(48(28)29)49(30)31)20(5)10-14(24-46(50(32)33)56(44-27)52(36)37)16-11(2)13(9-12(19(16,3)4)17(18(20)21)22-43-26)23-47(55(42)51(34)35)57(53(38)39)54(40)41/h6,12-15,17,43-44H,1,7-10,26-42H2,2-5H3.
What are the key properties of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?
9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one has a molecular weight of 1375.89 g/mol, XLogP of 21.61, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-4-[1-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-4-enyl]-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one is sourced from PubChem (CID 22967287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).